SCHEMBL3988282

SCHEMBL3988282

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(-c4ccc(=O)n(C)c4)c32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.33
CREBBP Q92793 1/20 0.33
ADORA2A P29274 4/20 0.32
ADORA2B P29275 4/20 0.32
ADORA1 P30542 4/20 0.32
CNR2 P34972 1/20 0.32
AVPR1B P47901 1/20 0.32
P2RX7 Q99572 6/20 0.32
FSCN1 Q16658 1/20 0.32
BRD4 O60885 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
PTGER4 P35408 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3984989 0.88 GRIN2B (0.38) KCNK3CNR2AVPR1BFSCN1
SCHEMBL3985632 0.84 DCTPP1 (0.35) P2RX7FSCN1PTGER4
SCHEMBL3989255 0.83 MAOB (0.35) ADORA2AP2RX7FSCN1PTGER4
SCHEMBL3991213 0.83 TRAP1 (0.34) AVPR1BP2RX7FSCN1PTGER4
SCHEMBL3985051 0.83 PKM (0.35) P2RX7FSCN1PTGER4
SCHEMBL3985741 0.83 P2RX7 (0.36) ADORA2AADORA1P2RX7FSCN1PTGER4
SCHEMBL3991571 0.82 AVPR1B (0.36) AVPR1BP2RX7FSCN1PTGER4
SCHEMBL3987232 0.82 PTGER4 (0.35) KCNK3CNR2AVPR1BP2RX7FSCN1
SCHEMBL3990945 0.81 P2RX7 (0.36) P2RX7FSCN1PTGER4
SCHEMBL3988126 0.81 PTGER4 (0.34) CNR2AVPR1BP2RX7FSCN1PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP KCNK3 2410/4885CREBBP 1308/4885ADORA2A 1987/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.